5-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)pentanoic acid

C13H21N3O2 — CID 61362394

IUPAC5-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)pentanoic acid
SMILESCc1nnc(CCCCC(=O)O)n1C1CCCC1
InChIInChI=1S/C13H21N3O2/c1-10-14-15-12(8-4-5-9-13(17)18)16(10)11-6-2-3-7-11/h11H,2-9H2,1H3,(H,17,18)
InChIKeyHZGNPTCLXLDXTR-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.50
Rot. Bonds6

About 5-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)pentanoic acid

5-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)pentanoic acid (PubChem CID 61362394) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)pentanoic acid.

Molecular Properties

Compound Name5-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)pentanoic acid
PubChem CID61362394
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name5-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)pentanoic acid
SMILESCc1nnc(CCCCC(=O)O)n1C1CCCC1
InChIInChI=1S/C13H21N3O2/c1-10-14-15-12(8-4-5-9-13(17)18)16(10)11-6-2-3-7-11/h11H,2-9H2,1H3,(H,17,18)
InChIKeyHZGNPTCLXLDXTR-UHFFFAOYSA-N
XLogP2.50
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)pentanoic acid?
The IUPAC name of 5-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)pentanoic acid (CID 61362394) is 5-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)pentanoic acid.
What is the SMILES notation for 5-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)pentanoic acid?
The canonical SMILES for 5-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)pentanoic acid is Cc1nnc(CCCCC(=O)O)n1C1CCCC1.
What is the InChIKey of 5-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)pentanoic acid?
The InChIKey is HZGNPTCLXLDXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10-14-15-12(8-4-5-9-13(17)18)16(10)11-6-2-3-7-11/h11H,2-9H2,1H3,(H,17,18).
What are the key properties of 5-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)pentanoic acid?
5-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)pentanoic acid has a molecular weight of 251.33 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)pentanoic acid is sourced from PubChem (CID 61362394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).